1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene

C12H15F3O3 — CID 91496733

IUPAC1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCOCCOCOc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C12H15F3O3/c1-9-3-4-11(10(7-9)12(13,14)15)18-8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeySTSNTHWQPWKXNJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene

1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 91496733) has the molecular formula C12H15F3O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID91496733
Molecular FormulaC12H15F3O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCOCCOCOc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C12H15F3O3/c1-9-3-4-11(10(7-9)12(13,14)15)18-8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeySTSNTHWQPWKXNJ-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene (CID 91496733) is 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene is COCCOCOc1ccc(C)cc1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is STSNTHWQPWKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3/c1-9-3-4-11(10(7-9)12(13,14)15)18-8-17-6-5-16-2/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene?
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 264.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91496733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).